propyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[3-(m-tolylcarbamoyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C22H25N3O4S/c1-3-12-29-20(27)11-10-19(26)25-22(30)24-18-9-5-7-16(14-18)21(28)23-17-8-4-6-15(2)13-17/h4-9,13-14H,3,10-12H2,1-2H3,(H,23,28)(H2,24,25,26,30)